SCHEMBL9323797

SCHEMBL9323797

O=P(O)(O)C(O)(CCCCO)P(=O)(O)O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 18/20 0.64
GGPS1 O95749 9/20 0.64
PDE3A Q14432 3/20 0.60
LMNA P02545 1/20 0.52
ADRB3 P13945 1/20 0.52
PDE4D Q08499 1/20 0.52
AGTR1 P30556 1/20 0.41
OPRM1 P35372 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2455283 0.98 FDPS (0.65) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL4097079 0.98 FDPS (0.65) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL10705729 0.97 FDPS (0.62) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL15452862 0.89 FDPS (0.76) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL9313278 0.87 FDPS (0.77) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL9313105 0.84 FDPS (0.74) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL2461794 0.81 FDPS (0.59) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL7762827 0.78 FDPS (0.61) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL6666195 0.78 FDPS (0.61) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL21985091 0.78 FDPS (0.68) FDPSGGPS1PDE3ALMNAADRB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5298221-A Ferrous surfaces in contact with aqueous systems W. R. GRACE & CO. - CONN. (US) 1994-03-29 US disclosed
US-5221487-A Water treatment W. R. GRACE & CO.-CONN. (US) 1993-06-22 US disclosed
EP-0141200-B1 DIHYDROXYALKANEDIPHOSPHONIC ACIDS Henkel Kommanditgesellschaft auf Aktien (DE) 1988-07-27 EP disclosed
US-4536348-A OUTSTANDING COMPLEXING POWER HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1985-08-20 US disclosed
EP-0141200-A2 Dihydroxyalkanediphosphonic acids Henkel Kommanditgesellschaft auf Aktien (DE) 1985-05-15 EP disclosed